chempirical

Solvent blue 104

C32H30N2O2CAS 116-75-6474.60 g/mol

Open in Covalent MOL file
NHNHOO
KetoneSecondary amine

Properties

Molecular formula
C32H30N2O2
Molar mass
474.60 g/mol
Exact mass
474.2307 Da
Melting point
236.5–237.5 °C
logP
7.80Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 2,417 ECHA notifiers. Aggregated from 2,417 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
116-75-6
SMILES
Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1
InChIKey
DMDRBXCDTZRMHZ-UHFFFAOYSA-N
InChI
InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • 9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]-
  • Anthraquinone, 1,4-bis(2,4,6-trimethylanilino)-
  • 1,4-Bis[(2,4,6-trimethylphenyl)amino]-9,10-anthracenedione
  • 1,4-Bis(2,4,6-trimethylanilino)anthraquinone
  • 1,4-Dimesidinoanthraquinone
  • Fat soluble brilliant blue anthraquinone
  • C.I. 61568
  • C.I. Solvent blue 104
  • Nitro fast blue 2B
  • Estofil blue S-RBL
  • 1,4-Bis(mesitylamino)anthraquinone
  • Sandoplast blue 2B
  • 1,4-Bis(2,4,6-trimethylanilino)-9,10-anthraquinone
  • Polysynthren blue RBL
  • NSC 135500
  • Sandoplast blue 2BP
  • Keyplast blue KR
  • Solvaperm blue 2B
  • KP plast blue GR
  • 1,4-Bis[(2,4,6-trimethylphenyl)amino]anthracene-9,10-dione
  • FS Blue 1547
  • 1,4-Bis(2,4,6-trimethylphenylamino)-9,10-anthraquinone
  • Optica global PRT blue
  • Optica global PRT blue toner
  • 1,4-Bis(2,4,6-trimethylanilino)anthracene-9,10-dione
  • Oracet blue 690

Work with Solvent blue 104

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione32724-62-269 % similar Quinizarine green ss128-80-363 % similar Acid blue 804474-24-256 % similar Disperse blue 142475-44-751 % similar Acid green 254403-90-151 % similar 2,4,6-Trimethylbenzophenone954-16-549 % similar Oil blue A14233-37-548 % similar Solvent blue 596994-46-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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